Interaction of nitrite with alkali oxides

Date

2002-07-05

Author

Erkoc, F
Erkoc, F

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The structural and electronic properties of nitrite (ONO) and alkali oxides (OX; X = H, Li, Na, K) have been investigated theoretically by performing ab initio calculations in the HF level. These species form alkali-metal nitrates (ONOOX). The optimized structures and the electronic properties of the systems ONO, OX, and ONOOX are obtained.

Subject Keywords

Nitrite, Ab initio calculation, Alkali-metal nitrate, Alkali oxide

URI

https://hdl.handle.net/11511/64577

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(02)00081-7

Collections

Department of Physics, Article

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Citation Formats

F. Erkoc and F. Erkoc, “Interaction of nitrite with alkali oxides,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 81–86, 2002, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/64577.